Compound Detail

CHEMBL5912922

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Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(OC2CNC2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5912922
Phase	Preclinical
Structure Type	MOL
InChI Key	ARBMICZOSUERLW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

513.6

MW (Da)

3.09

ALogP

HBA

HBD

125.3

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 6 meas. best 10.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906	IC50	10.1	10.1	0.1	2
Unchecked CHEMBL612545	IC50	10.1	9.9	0.1	2
Serine/threonine-protein kinase B-raf CHEMBL5145	IC50	9.7	9.7	0.2	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	0.08	nM	10.1	Raf Activity Assay: Raf and biotinylated Mek, kinase dead, were combined at 2x f...	-
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	0.08	nM	10.1	In Vitro Raf Activity: Raf and biotinylated Mek, kinase dead, were combined at 2...	-
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	0.08	nM	10.1	In Vitro Activity Assay: C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 ...	-
Serine/threonine-protein kinase B-raf	IC50	=	0.2	nM	9.7	Raf Activity Assay: Raf and biotinylated Mek, kinase dead, were combined at 2x f...	-
Serine/threonine-protein kinase B-raf	IC50	=	0.2	nM	9.7	In Vitro Raf Activity: Raf and biotinylated Mek, kinase dead, were combined at 2...	-
Unchecked	IC50	=	0.2	nM	9.7	In Vitro Activity Assay: C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 ...	-

Data from ChEMBL 36 via Core Engine